Table 3.

Docking scores, binding free energies and their corresponding ranks by Hyde affinity assessment.

Compound	Docking Score by FlexX	Pose Rank	Binding Free Energy ΔG (kJ/mol)
5a	−22.12	1	−17
5b	−26.58	2	−25
5c	−21.56	2	−16
5d	−23.01	3	−18
5e	−19.67	2	−16
5f	−14.55	4	−12
5g	−14.62	3	−10
5h	−13.69	1	−8
5i	−12.58	2	−9
5j	−14.24	1	−10
5k	−13.99	2	−9
Huprine W	−16.29	1	−23